BDBM50112674 2-Benzo[1,3]dioxol-5-yl-4-phenyl-2H-chromene-3-carboxylic acid::CHEMBL62659

SMILES: OC(=O)C1=C(c2ccccc2)c2ccccc2OC1c1ccc2OCOc2c1

InChI Key: InChIKey=UCOQIZHGNIKEJW-UHFFFAOYSA-N

Data: 3 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50112674   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Endothelin receptor ET-B (Sus scrofa)	BDBM50112674 (2-Benzo[1,3]dioxol-5-yl-4-phenyl-2H-chromene-3-car...) Show SMILES OC(=O)C1=C(c2ccccc2)c2ccccc2OC1c1ccc2OCOc2c1 |c:3| Show InChI InChI=1S/C23H16O5/c24-23(25)21-20(14-6-2-1-3-7-14)16-8-4-5-9-17(16)28-22(21)15-10-11-18-19(12-15)27-13-26-18/h1-12,22H,13H2,(H,24,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Shionogi & Co., Ltd. Curated by ChEMBL					Assay Description Binding affinity to endothelin B receptor measured by inhibition of [125I]-ET-3 binding recombinant pig ET-B receptor expressed in COS-7 cells				J Med Chem 45: 2041-55 (2002) BindingDB Entry DOI: 10.7270/Q24J0DGM
					More data for this Ligand-Target Pair
EDNRA (RAT)	BDBM50112674 (2-Benzo[1,3]dioxol-5-yl-4-phenyl-2H-chromene-3-car...) Show SMILES OC(=O)C1=C(c2ccccc2)c2ccccc2OC1c1ccc2OCOc2c1 |c:3| Show InChI InChI=1S/C23H16O5/c24-23(25)21-20(14-6-2-1-3-7-14)16-8-4-5-9-17(16)28-22(21)15-10-11-18-19(12-15)27-13-26-18/h1-12,22H,13H2,(H,24,25)	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	780	n/a	n/a	n/a	n/a	n/a	n/a
University of Innsbruck Curated by ChEMBL					Assay Description Ability to displace [125I]-ET-1 from the rat endothelin A receptor expressed in rat aorta smooth muscle cells.				J Med Chem 47: 2750-60 (2004) Article DOI: 10.1021/jm031041j BindingDB Entry DOI: 10.7270/Q26T0M3J
					More data for this Ligand-Target Pair
EDNRA (RAT)	BDBM50112674 (2-Benzo[1,3]dioxol-5-yl-4-phenyl-2H-chromene-3-car...) Show SMILES OC(=O)C1=C(c2ccccc2)c2ccccc2OC1c1ccc2OCOc2c1 |c:3| Show InChI InChI=1S/C23H16O5/c24-23(25)21-20(14-6-2-1-3-7-14)16-8-4-5-9-17(16)28-22(21)15-10-11-18-19(12-15)27-13-26-18/h1-12,22H,13H2,(H,24,25)	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	780	n/a	n/a	n/a	n/a	n/a	n/a
Shionogi & Co., Ltd. Curated by ChEMBL					Assay Description Binding affinity for endothelin A receptor by inhibition of [125I]-ET-1 binding in rat aorta smooth muscle cells				J Med Chem 45: 2041-55 (2002) BindingDB Entry DOI: 10.7270/Q24J0DGM
					More data for this Ligand-Target Pair